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SCHEMBL17697902

SCHEMBL17697902

CC(C)(C)OC(=O)NC(CC(=O)O)c1ccc(F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 5/20 0.46
▸ S1PR3 Q99500 1/20 0.43
▸ CTSA P10619 7/20 0.41
▸ APP P05067 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ DCAF1 Q9Y4B6 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16689353 1.00 CYP26A1 (0.46) CYP26A1S1PR3CTSAAPPITGB1
SCHEMBL6949529 0.89 CYP26A1 (0.56) CYP26A1S1PR3CTSA
SCHEMBL16689312 0.89 ITGB3 (0.47) CYP26A1S1PR3CTSAITGB1ITGA4
SCHEMBL7962021 0.89 ITGB3 (0.47) CYP26A1S1PR3CTSAITGB1ITGA4
SCHEMBL19283535 0.86 CTSS (0.43) CYP26A1S1PR3CTSA
SCHEMBL391917 0.85 KMT2A (0.53) CYP26A1S1PR3CTSAKMT2A
SCHEMBL391918 0.85 KMT2A (0.53) CYP26A1S1PR3CTSAKMT2A
SCHEMBL390624 0.85 KMT2A (0.53) CYP26A1S1PR3CTSAKMT2A
SCHEMBL742765 0.83 CTSL (0.50) CYP26A1S1PR3CTSADCAF1
SCHEMBL31549516 0.83 CTSL (0.50) CYP26A1S1PR3CTSADCAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 — — EP disclosed